SCHEMBL8528953

SCHEMBL8528953

CN(CCC[C@H](C(N)=O)N(Cc1ccc(CC(N)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
NR1H3 Q13133 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RORC P51449 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 2/20 0.37
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7043265 0.91 TDP1 (0.42) TDP1KMT2AMEN1BCHEACHE
SCHEMBL8612230 0.91 TDP1 (0.42) TDP1KMT2AMEN1BCHEACHE
SCHEMBL8525859 0.86 TDP1 (0.40) TDP1NR1H3KMT2AMEN1RORC
SCHEMBL8112100 0.82 TDP1 (0.44) TDP1KMT2AMEN1ATM
SCHEMBL7039838 0.81 TDP1 (0.36) TDP1NR1H3KMT2AMEN1RORC
SCHEMBL8650060 0.80 TDP1 (0.41) TDP1KMT2AMEN1ALDH1A1
SCHEMBL8650581 0.80 TDP1 (0.43) TDP1KMT2AMEN1
SCHEMBL7038181 0.79 TDP1 (0.43) TDP1KMT2AMEN1ATM
Hydrochloric Acid SCHEMBL4702218 0.78 TDP1 (0.42) TDP1KMT2AMEN1ATM
SCHEMBL8126608 0.76 TDP1 (0.41) TDP1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed